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doc page clarifications

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This commit is contained in:
Steve Plimpton
2022-07-28 17:12:31 -06:00
parent b8f4efcb6a
commit 842b5b365e
2 changed files with 14 additions and 13 deletions
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18
doc/src/fix_pair.rst
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@ -52,15 +52,15 @@ per-atom quantity which the pair style must recognize as an extraction
request. See the doc pages for individual :doc:`pair_styles
<pair_style>` to see what fix pair requests (if any) they support.
The *flag* setting determines whether this fix will also request that
the pair style compute the named quantity to be extracted. If the
quantity is always computed by the pair style, no request is needed;
specify *flag* = 0. If the quantity is not always computed (e.g. it
is expensive to calculate), then specify *flag* = 1. This fix will
then request the quantity only on timesteps it is needed. Again, see
the doc pages for individual :doc:`pair_styles <pair_style>` to
determine which fix pair requests (if any) need to be triggered with a
*flag* = 1 setting.
The *flag* setting determines whether this fix will also trigger the
pair style to compute the named quantity so it can be extracted. If
the quantity is always computed by the pair style, no trigger is
needed; specify *flag* = 0. If the quantity is not always computed
(e.g. it is expensive to calculate), then specify *flag* = 1. This
will trigger the quantity to be calculated only on timesteps it is
needed. Again, see the doc pages for individual :doc:`pair_styles
<pair_style>` to determine which fix pair requests (if any) need to be
triggered with a *flag* = 1 setting.
The per-atom data extracted from the pair style is stored by this fix
as either a per-atom vector or array. If there is only one *name*

9
doc/src/pair_eam.rst
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@ -444,10 +444,11 @@ identical to the FS EAM files (see above).
----------
The eam, eam/alloy, eam/fs, and eam/he pair styles support extraction
of two per-atom quantities by the :doc:`fix pair <fix_pair>` command.
This allows the quantities to be output to files by the :doc:`dump
<dump>` or otherwise processed by other LAMMPS commamds.
The *eam*, *eam/alloy*, *eam/fs*, and *eam/he* pair styles support
extraction of two per-atom quantities by the :doc:`fix pair
<fix_pair>` command. This allows the quantities to be output to files
by the :doc:`dump <dump>` or otherwise processed by other LAMMPS
commamds.
The names of the two quantites are "rho" and "fp" for the density and
derivative of the embedding energy for each atom. Neither quantity